Materials Data on KPHNO2 by Materials Project
KPNHO2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to one N3-, one H1+, and seven O2- atoms. The K–N bond length is 3.00 Å. The K–H bond length is 2.96 Å. There are a spread of K–O bond distances ranging from 2.78–3.35 Å. P5+ is bonded to two equivalent N3- and two O2- atoms to form corner-sharing PN2O2 tetrahedra. There is one shorter (1.70 Å) and one longer (1.71 Å) P–N bond length. There is one shorter (1.51 Å) and one longer (1.52 Å) P–O bond length. N3- is bonded in a 3-coordinate geometry to one K1+, two equivalent P5+, and one H1+ atom. The N–H bond length is 1.04 Å. H1+ is bonded in a single-bond geometry to one K1+ and one N3- atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and one P5+ atom.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1199818
- Report Number(s):
- mp-23942
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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